REMARK  Name = BDB012724
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.735  -0.181  -0.855  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1        1.144  -1.261  -1.579  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1       -0.213  -0.950  -1.663  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -1.145  -1.780  -2.306  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1       -0.663  -2.960  -2.880  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        0.686  -3.284  -2.807  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1        1.113  -4.423  -3.368  0.00  0.00    -0.205 F 
ATOM      8  N   LIG    1       -0.337   0.249  -1.008  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1        1.607  -2.457  -2.166  0.00  0.00    +0.051 A 
ATOM     10  N   LIG    1        0.817   0.722  -0.505  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        3.060  -0.150  -0.571  0.00  0.00    -0.296 N 
ATOM     12  H   LIG    1        3.625  -0.928  -0.925  0.00  0.00    +0.154 HD
BRANCH  11  14
ATOM     13  C   LIG    1        5.207   0.585   0.396  0.00  0.00    +0.062 A 
ATOM     14  C   LIG    1        3.870   0.849   0.020  0.00  0.00    +0.063 A 
ATOM     15  C   LIG    1        3.405   2.124   0.338  0.00  0.00    +0.134 A 
ATOM     16  N   LIG    1        4.144   3.103   0.926  0.00  0.00    -0.261 NA
ATOM     17  C   LIG    1        5.421   2.816   1.227  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1        5.995   1.583   0.989  0.00  0.00    +0.034 A 
BRANCH  13  21
ATOM     19  N   LIG    1        6.833  -1.148   1.039  0.00  0.00    -0.219 N 
ATOM     20  H   LIG    1        6.943  -0.680   1.937  0.00  0.00    +0.167 HD
ATOM     21  C   LIG    1        5.784  -0.771   0.163  0.00  0.00    +0.258 C 
ATOM     22  O   LIG    1        5.346  -1.484  -0.730  0.00  0.00    -0.269 OA
BRANCH  19  24
ATOM     23  N   LIG    1        7.630  -3.492   0.785  0.00  0.00    -0.174 NA
ATOM     24  C   LIG    1        7.238  -2.406   0.868  0.00  0.00    +0.173 C 
ENDBRANCH  19  24
ENDBRANCH  13  21
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   8  25
ATOM     25  C   LIG    1       -1.559   1.011  -0.805  0.00  0.00    +0.159 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.249   0.611   0.505  0.00  0.00    +0.107 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -3.503   1.348   0.774  0.00  0.00    -0.300 NA
ATOM     28  C   LIG    1       -4.528   1.112  -0.257  0.00  0.00    +0.090 C 
ATOM     29  C   LIG    1       -5.923   1.456   0.245  0.00  0.00    +0.091 C 
ATOM     30  C   LIG    1       -6.282   0.549   1.405  0.00  0.00    +0.251 C 
ATOM     31  F   LIG    1       -6.923  -0.555   0.933  0.00  0.00    -0.206 F 
ATOM     32  F   LIG    1       -7.178   1.190   2.201  0.00  0.00    -0.206 F 
ATOM     33  C   LIG    1       -5.094   0.094   2.234  0.00  0.00    +0.091 C 
ATOM     34  C   LIG    1       -3.981   1.125   2.151  0.00  0.00    +0.090 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   8  25
TORSDOF 7